| Canonical Smiles | C1CS(=O)(=O)C2=C1C=CC(=C2)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonyl chloride |
| InChIKey | OTTLGROTQDMDSE-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2 |
| Molecular Weight | 266.700 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenoids |
| Alternative Parents | Sulfonyl chlorides Sulfones Organosulfonic acids and derivatives Organoheterocyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenoid - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 266.700 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 265.947 Da |
| Monoisotopic Mass | 265.947 Da |
| Topological Polar Surface Area | 85.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
